Information card for entry 7114521

Structure parameters

• Chemical name: BF~2~ chelate
• Formula: C37.5 H30 B F2 N3 O2
• Calculated formula: C37.5 H30 B F2 N3 O2
• Title of publication: Synthesis of BF2 chelates of tetraarylazadipyrromethenes and evidence for their photodynamic therapeutic behaviour
• Authors of publication: Killoran, John; Allen, Lorcan; Gallagher, John F.; Gallagher, William M.; O'Shea, Donal F.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1862 - 1863
• a: 18.124 ± 0.002 Å
• b: 7.4096 ± 0.0007 Å
• c: 23.634 ± 0.003 Å
• α: 90°
• β: 110.188 ± 0.007°
• γ: 90°
• Cell volume: 2978.9 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2409
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No